Glycoside
GD078862
Name:
NoneFormula:
C19H21O6N3Smiles:
Cc1cc(Nc2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)cnc1C#NAglycone:
Cc1cc(Nc2ccc(O)cc2)cnc1C#NSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 5 |
| MolWt: | 387.39 | Num_heavy_atoms: | 28 |
| TPSA: | 148.09 | NumAromaticRings: | 2 |
Unique Aglycone
AD36235
Formula: C13H11ON3
Smiles:
Cc1cc(Nc2ccc(O)cc2)cnc1C#N| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 2 |
| MolWt: | 225.25 | Num_heavy_atoms: | 17 |
| TPSA: | 68.94 | NumAromaticRings: | 2 |
